L880-0054 Screening compound: 2-({3-ethyl-8-methoxy-5-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-(3-fluorophenyl)acetamide

L880-0054 Screening compound: 2-({3-ethyl-8-methoxy-5-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-(3-fluorophenyl)acetamide
L880-0054 Screening compound: 2-({3-ethyl-8-methoxy-5-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-(3-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L880-0054
2-({3-ethyl-8-methoxy-5-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-(3-fluorophenyl)acetamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

L880-0054

Molecular Formula

C22H21FN4O3S (C22 H21 FN4 O3 S)

Compound Name

2-({3-ethyl-8-methoxy-5-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-(3-fluorophenyl)acetamide

IUPAC name

2-({3-ethyl-8-methoxy-5-methyl-4-oxo-3H4H5H-pyrimido[54-b]indol-2-yl}sulfanyl)-N-(3-fluorophenyl)acetamide

SMILES

CCN(C1=O)C(SCC(Nc2cc(F)ccc2)=O)=Nc2c1n(C)c(cc1)c2cc1OC

InChI

InChI=1S/C22H21FN4O3S/c1-4-27-21(29)20-19(16-11-15(30-3)8-9-17(16)26(20)2)25-22(27)31-12-18(28)24-14-7-5-6-13(23)10-14/h5-11H,4,12H2,1-3H3,(H,24,28)

InChI Key

XQSKRQYFMQQMHI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16640101

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.675

Distribution Coefficient, logD

3.674

Water Solubility, LogSw

-4.05

Polar Surface Area

56.131

Acid Dissociation Constant (pKa)

11.14

Base Dissociation Constant (pKb)

-0.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

L880-0054 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Targets:
  • Proteases
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with L880-0054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L880-0054?
Check Price and Availability of L880-0054, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of L880-0054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L880-0054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L880-0054
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of L880-0054 available by request